2-(1-oxidanidylpyridin-1-ium-3-yl)sulfanyl-1-[4-(phenylcarbonyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-3-yl)sulfanyl-1-[4-(phenylcarbonyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzoyl-1-piperidyl)-2-(1-oxidopyridin-1-ium-3-yl)sulfanyl-ethanone CAS Name: 1-(4-benzoyl-1-piperidinyl)-2-[(1-oxido-3-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-benzoylpiperidin-1-yl)-2-(1-oxidopyridin-1-ium-3-yl)sulfanylethanone Traditional Name: 1-(4-benzoylpiperidino)-2-[(1-oxidopyridin-1-ium-3-yl)thio]ethanone Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)CSC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)CSC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H20N2O3S/c22-18(14-25-17-7-4-10-21(24)13-17)20-11-8-16(9-12-20)19(23)15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2